Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL045276
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](C)C)/[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H37N3O5 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O5/c1-8-36-28(35)23-17(4)21(18(5)29-23)25(32)22-24(20-12-10-19(11-13-20)16(2)3)31(27(34)26(22)33)15-9-14-30(6)7/h10-13,16,24,29,32H,8-9,14-15H2,1-7H3/b25-22+InChIKey
RQLPGORKYRXWQR-YYDJUVGSSA-NSynonyms
846580-07-2(E)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
846580072
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)C(C)C)(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4(METHYLETHYL)PHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H37N3O5c183628(35)2317(4)21(18(5)2923)25(32)2224(20121019(111320)16(2)3)31(27(34)26(22)33)1591430(6)7h101316242932H891415H217H3b2522+
MFCD18248602
ZINC000102876247
ZINC000102876249
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